BJ5OM7
-OEChem-04012113063D
40 46 0 1 0 0 0 0 0999 V2000
2.3687 0.2118 -1.4023 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2108 1.6418 1.9168 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3054 -0.5570 1.0308 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3648 0.4556 -1.2242 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1340 2.2962 0.3792 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6681 -2.4604 -1.0452 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6474 -0.4191 -0.3210 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0016 0.2803 -0.1207 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3264 0.2870 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5060 1.6536 0.6628 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8375 2.3221 0.8217 C 0 0 2 0 0 0 0 0 0 0 0 0
3.0749 1.6823 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2356 -0.5848 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6239 -1.9066 -0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0840 -2.0021 -0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8169 -2.6574 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6686 -0.5144 1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7267 0.4570 -1.1478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3950 -0.0130 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 -1.0233 2.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4372 0.9293 -2.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8072 -0.0052 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7123 -1.0107 2.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8305 0.9505 -2.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4543 -0.5029 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5141 0.4893 -1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 2.2775 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8393 3.4060 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4869 -0.6369 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0833 -0.1041 -0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9578 -2.5971 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0618 -1.9746 -1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7816 -2.6651 1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7619 -3.6928 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7505 -1.4245 3.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9136 1.2887 -3.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2223 -1.4007 3.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3865 1.3245 -3.0733 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5401 -0.5083 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6016 0.5102 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 10 1 0 0 0 0
2 11 1 0 0 0 0
3 9 1 0 0 0 0
3 17 1 0 0 0 0
4 9 1 0 0 0 0
4 18 1 0 0 0 0
5 12 2 0 0 0 0
6 14 2 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 14 1 0 0 0 0
8 12 1 0 0 0 0
8 13 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 27 1 0 0 0 0
11 12 1 0 0 0 0
11 28 1 0 0 0 0
13 15 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 16 1 0 0 0 0
15 16 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
17 19 1 0 0 0 0
17 20 2 0 0 0 0
18 19 1 0 0 0 0
18 21 2 0 0 0 0
19 22 2 0 0 0 0
20 23 1 0 0 0 0
20 35 1 0 0 0 0
21 24 1 0 0 0 0
21 36 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
23 25 2 0 0 0 0
23 37 1 0 0 0 0
24 26 2 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$